N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide

C16H23ClN2O — CID 63129179

IUPACN-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)NCCc2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C16H23ClN2O/c1-2-16(8-11-18-12-9-16)15(20)19-10-7-13-3-5-14(17)6-4-13/h3-6,18H,2,7-12H2,1H3,(H,19,20)
InChIKeyJOXXIEXEQXJDMY-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.78
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide (PubChem CID 63129179) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
PubChem CID63129179
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)NCCc2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C16H23ClN2O/c1-2-16(8-11-18-12-9-16)15(20)19-10-7-13-3-5-14(17)6-4-13/h3-6,18H,2,7-12H2,1H3,(H,19,20)
InChIKeyJOXXIEXEQXJDMY-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxamide
CID 103006575
3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 63132469
(1S)-2,2-dichloro-N-[2-(4-chlorophenyl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 2229042
N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63127175
4-(methoxymethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120633664
N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120618096
4-ethyl-N-octylpiperidine-4-carboxamide
CID 115567946
1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 81172071
1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 39058425
4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid
CID 63128895
N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120625301
2-[(4-ethylpiperidine-4-carbonyl)amino]ethyl carbamate
CID 83211105

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide (CID 63129179) is N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide is CCC1(C(=O)NCCc2ccc(Cl)cc2)CCNCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide?
The InChIKey is JOXXIEXEQXJDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-2-16(8-11-18-12-9-16)15(20)19-10-7-13-3-5-14(17)6-4-13/h3-6,18H,2,7-12H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 63129179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).